LAMMPS (18 Feb 2013)
# 2-d LJ flow simulation

dimension	2
boundary	p s p

atom_style	atomic
neighbor	0.3 bin
neigh_modify	delay 5

# create geometry

lattice		hex 0.7
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region		box block 0 20 0 10 -0.25 0.25
create_box	3 box
Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 420 atoms

mass		1 1.0
mass		2 1.0
mass		3 1.0

# LJ potentials

pair_style	lj/cut 1.12246
pair_coeff	* * 1.0 1.0 1.12246

# define groups

region	     1 block INF INF INF 1.25 INF INF
group	     lower region 1
60 atoms in group lower
region	     2 block INF INF 8.75 INF INF INF
group	     upper region 2
60 atoms in group upper
group	     boundary union lower upper
120 atoms in group boundary
group	     flow subtract all boundary
300 atoms in group flow

set	     group lower type 2
  60 settings made for type
set	     group upper type 3
  60 settings made for type

# initial velocities

compute	     mobile flow temp
velocity     flow create 1.0 482748 temp mobile
fix	     1 all nve
fix	     2 flow temp/rescale 200 1.0 1.0 0.02 1.0
fix_modify   2 temp mobile

# Couette flow

velocity     lower set 0.0 0.0 0.0
velocity     upper set 3.0 0.0 0.0
fix	     3 boundary setforce 0.0 0.0 0.0
fix	     4 all enforce2d

# Poiseuille flow

#velocity     boundary set 0.0 0.0 0.0
#fix	     3 lower setforce 0.0 0.0 0.0
#fix	     4 upper setforce 0.0 NULL 0.0
#fix	     5 upper aveforce 0.0 -1.0 0.0
#fix	     6 flow addforce 0.5 0.0 0.0
#fix	     7 all enforce2d

# Run

timestep	0.003
thermo		500
thermo_modify	temp mobile
WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:436)

#dump		1 all atom 500 dump.flow

#dump		1 all image 100 image.*.jpg type type #		zoom 1.6 adiam 1.2
#dump_modify	1 pad 5

run		10000
Memory usage per processor = 2.06627 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0            1            0            0   0.71190476   0.52314537    571.54286 
     500    1.0951876  -0.33403931            0   0.44562996    3.2502319    571.54286 
    1000            1   -0.3731019            0   0.33880286    2.8561715    571.54286 
    1500    1.0366879  -0.36031105            0   0.37771198    3.0196355    571.54286 
    2000            1  -0.41052955            0   0.30137522     2.865194    571.54286 
    2500    1.1228407  -0.37042187            0    0.4289338    2.9445246    571.54286 
    3000            1  -0.38445444            0   0.32745032    2.5935182    571.54286 
    3500    0.9837004  -0.45271556            0   0.24758544    2.7982195    571.54286 
    4000            1  -0.39733214            0   0.31457262    2.5610834    571.54286 
    4500    1.1185501  -0.40471335            0   0.39158777    2.4136693    571.54286 
    5000            1  -0.41474863            0   0.29715613    2.5475686    571.54286 
    5500    1.0417966   -0.3742507            0   0.36740927    2.4667154    571.54286 
    6000            1  -0.45012825            0   0.26177652     2.569894    571.54286 
    6500    1.1544519   -0.3964682            0   0.42539161    2.5635202    571.54286 
    7000            1  -0.44665963            0   0.26524513    2.4335307    571.54286 
    7500   0.97729968  -0.47377977            0   0.22196453    2.7482936    571.54286 
    8000            1  -0.42864525            0   0.28325951    2.3927949    571.54286 
    8500    1.0967901  -0.40513897            0   0.37567113     2.612602    571.54286 
    9000            1   -0.3847711            0   0.32713366    2.6900106    571.54286 
    9500    1.0085423   -0.4393538            0   0.27863229    2.4411599    571.54286 
   10000            1  -0.44847346            0   0.26343131    2.4997148    571.54286 
Loop time of 0.160618 on 4 procs for 10000 steps with 420 atoms

Pair  time (%) = 0.032594 (20.2929)
Neigh time (%) = 0.0132387 (8.24237)
Comm  time (%) = 0.070047 (43.6109)
Outpt time (%) = 0.00035125 (0.218687)
Other time (%) = 0.044387 (27.6351)

Nlocal:    105 ave 115 max 94 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    40.25 ave 43 max 39 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Neighs:    235.75 ave 297 max 170 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 943
Ave neighs/atom = 2.24524
Neighbor list builds = 965
Dangerous builds = 0
